5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C128H91BBr2N13O8S5- — CID 165007516

About 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 165007516) has the molecular formula C128H91BBr2N13O8S5- and a molecular weight of 2270.17 g/mol. Its IUPAC name is 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• PubChem CID: 165007516
• Molecular Formula: C128H91BBr2N13O8S5-
• Molecular Weight: 2270.17 g/mol
• Exact Mass: 2266.42
• IUPAC Name: 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• SMILES: C.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)c1nsc2ncc(Br)cc12.CCC(CC)NC(=O)c1nsc2ncc(C3=CC4SC(NC(=O)C5CC5)=NC4C=C3)cc12.CCC(N)CC.O=C(O)c1nsc2ncc(Br)cc12
• InChI: InChI=1S/C31H4.C31H3.C23H25N5O2S2.C17H21BN2O3S.C12H14BrN3OS.C7H3BrN2O2S.C5H13N.2CH4/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-15(4-2)25-21(30)19-16-9-14(11-24-22(16)32-28-19)13-7-8-17-18(10-13)31-23(26-17)27-20(29)12-5-6-12;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-8(4-2)15-11(17)10-9-5-7(13)6-14-12(9)18-16-10;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;1-3-5(6)4-2;;/h1H,2H3;1H,2H2;7-12,15,17-18H,3-6H2,1-2H3,(H,25,30)(H,26,27,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-6,8H,3-4H2,1-2H3,(H,15,17);1-2H,(H,11,12);5H,3-4,6H2,1-2H3;2*1H4/q;-1
• InChIKey: JEPRJTKGQCJXNM-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 300.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.17
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The IUPAC name of 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 165007516) is 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is C.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)c1nsc2ncc(Br)cc12.CCC(CC)NC(=O)c1nsc2ncc(C3=CC4SC(NC(=O)C5CC5)=NC4C=C3)cc12.CCC(N)CC.O=C(O)c1nsc2ncc(Br)cc12.

What is the InChIKey of 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The InChIKey is JEPRJTKGQCJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H4.C31H3.C23H25N5O2S2.C17H21BN2O3S.C12H14BrN3OS.C7H3BrN2O2S.C5H13N.2CH4/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-15(4-2)25-21(30)19-16-9-14(11-24-22(16)32-28-19)13-7-8-17-18(10-13)31-23(26-17)27-20(29)12-5-6-12;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-8(4-2)15-11(17)10-9-5-7(13)6-14-12(9)18-16-10;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;1-3-5(6)4-2;;/h1H,2H3;1H,2H2;7-12,15,17-18H,3-6H2,1-2H3,(H,25,30)(H,26,27,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-6,8H,3-4H2,1-2H3,(H,15,17);1-2H,(H,11,12);5H,3-4,6H2,1-2H3;2*1H4/q;-1;;;;;;;.

What are the key properties of 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 2270.17 g/mol, XLogP of 15.99, 16 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;methane;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).